(phenylmethyl) N-[(1S,6R)-6-propanoylcyclohex-2-en-1-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S,6R)-6-propanoylcyclohex-2-en-1-yl]carbamate Openeye Name: benzyl N-[(1S,6R)-6-propanoylcyclohex-2-en-1-yl]carbamate CAS Name: N-[(1S,6R)-6-(1-oxopropyl)-1-cyclohex-2-enyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S,6R)-6-propanoylcyclohex-2-en-1-yl]carbamate Traditional Name: N-[(1S,6R)-6-propionylcyclohex-2-en-1-yl]carbamic acid benzyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCC=CC1NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)[C@@H]1CCC=C[C@@H]1NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H21NO3/c1-2-16(19)14-10-6-7-11-15(14)18-17(20)21-12-13-8-4-3-5-9-13/h3-5,7-9,11,14-15H,2,6,10,12H2,1H3,(H,18,20)/t14-,15+/m1/s1